Ellestadite-(Cl)
Saint-Jean S J, Hansen S
Solid State Sciences 7 (2005) 97-102
Nonstoichiometry in chlorellestadite
Locality: synthetic
Sample: Nonstoichiometric
_database_code_amcsd 0015529
9.5608 9.5608 6.8949 90 90 120 P6_3/m
atom      x      y     z occ Biso
Ca1     1/3    2/3 .0024      2.6
Ca2   .2548 -.0046   .25  .9  2.1
Si    .4025  .3792   .25  .5  2.0
S     .4025  .3792   .25  .5  2.0
O1    .3299  .4835   .25      2.7
O2     .579   .464   .25      2.7
O3    .3410  .2535 .0729      2.7
Cl        0      0  .451  .2  6.9